1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

C16H20N2OS — CID 61281712

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2ccc3c(c2)CCO3)nc1C
InChIInChI=1S/C16H20N2OS/c1-4-17-10(2)15-11(3)18-16(20-15)13-5-6-14-12(9-13)7-8-19-14/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyDPIMDDRDOPEKLM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.72
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 61281712) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID61281712
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2ccc3c(c2)CCO3)nc1C
InChIInChI=1S/C16H20N2OS/c1-4-17-10(2)15-11(3)18-16(20-15)13-5-6-14-12(9-13)7-8-19-14/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyDPIMDDRDOPEKLM-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280929
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868202
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 61282286
2-[4-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanol
CID 116852161
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
N-[1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107922728
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 61281712) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(-c2ccc3c(c2)CCO3)nc1C.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is DPIMDDRDOPEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-17-10(2)15-11(3)18-16(20-15)13-5-6-14-12(9-13)7-8-19-14/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 61281712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).